SCHEMBL9415864

SCHEMBL9415864

CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1C[C@@H](F)CC1C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(O)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 3/20 0.42
▸ CMA1 P23946 12/20 0.41
▸ CCR1 P32246 2/20 0.39
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSK P43235 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9415833 0.88 CMA1 (0.45) CAPN1CMA1CCR1
SCHEMBL3908872 0.81 SYK (0.45) CTSK
SCHEMBL3908876 0.81 SYK (0.45) CTSK
SCHEMBL9415824 0.74 CAPN1 (0.57) CAPN1CCR1CTSLCTSBCTSK
SCHEMBL18863053 0.69 CASP3 (0.55) —
SCHEMBL5494468 0.69 CTSD (0.51) CTSL
SCHEMBL311041 0.68 KLK5 (0.36) —
SCHEMBL30896685 0.66 CAPN1 (0.53) CAPN1CMA1CTSLCTSBCTSK
SCHEMBL625910 0.66 CTSD (0.44) —
SCHEMBL4434235 0.66 CTSD (0.44) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618223-A2 Peptides inhibiting interleukin 1-bêta release useful as antiinflammatory agents SANDOZ LTD. (CH) 1994-10-05 — — EP disclosed
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